methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0075 |
| Compound Name: | methyl 3-[3,5-dioxo-4-(2-phenylethyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C22 H20 N2 O6 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CC(N(CCc2ccccc2)C(C1)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.303 |
| logD: | 2.303 |
| logSw: | -2.5884 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.237 |
| InChI Key: | KVYCMVJFUJIBLJ-UHFFFAOYSA-N |